4-bromo-2,6-dichloro-N-[(3,4-dimethoxyphenyl)methyl]-N-ethylbenzenesulfonamide

C17H18BrCl2NO4S — CID 60594986

IUPAC4-bromo-2,6-dichloro-N-[(3,4-dimethoxyphenyl)methyl]-N-ethylbenzenesulfonamide
SMILESCCN(Cc1ccc(OC)c(OC)c1)S(=O)(=O)c1c(Cl)cc(Br)cc1Cl
InChIInChI=1S/C17H18BrCl2NO4S/c1-4-21(10-11-5-6-15(24-2)16(7-11)25-3)26(22,23)17-13(19)8-12(18)9-14(17)20/h5-9H,4,10H2,1-3H3
InChIKeyYCEKYSRGQFMBER-UHFFFAOYSA-N
MW483.21 g/mol
LogP4.98
Rot. Bonds7

About 4-bromo-2,6-dichloro-N-[(3,4-dimethoxyphenyl)methyl]-N-ethylbenzenesulfonamide

4-bromo-2,6-dichloro-N-[(3,4-dimethoxyphenyl)methyl]-N-ethylbenzenesulfonamide (PubChem CID 60594986) has the molecular formula C17H18BrCl2NO4S and a molecular weight of 483.21 g/mol. Its IUPAC name is 4-bromo-2,6-dichloro-N-[(3,4-dimethoxyphenyl)methyl]-N-ethylbenzenesulfonamide.

Molecular Properties

Compound Name4-bromo-2,6-dichloro-N-[(3,4-dimethoxyphenyl)methyl]-N-ethylbenzenesulfonamide
PubChem CID60594986
Molecular FormulaC17H18BrCl2NO4S
Molecular Weight483.21 g/mol
Exact Mass480.95
IUPAC Name4-bromo-2,6-dichloro-N-[(3,4-dimethoxyphenyl)methyl]-N-ethylbenzenesulfonamide
SMILESCCN(Cc1ccc(OC)c(OC)c1)S(=O)(=O)c1c(Cl)cc(Br)cc1Cl
InChIInChI=1S/C17H18BrCl2NO4S/c1-4-21(10-11-5-6-15(24-2)16(7-11)25-3)26(22,23)17-13(19)8-12(18)9-14(17)20/h5-9H,4,10H2,1-3H3
InChIKeyYCEKYSRGQFMBER-UHFFFAOYSA-N
XLogP4.98
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.21
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-[(3,4-dimethoxyphenyl)methyl]-N-ethylbenzenesulfonamide
CID 8801231
N-[(3,4-dimethoxyphenyl)methyl]-N,4-diethylbenzenesulfonamide
CID 8801363
4-chloro-N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-2-fluorobenzenesulfonamide
CID 8801326
4-bromo-2,6-dichloro-N-[(2-methoxyphenyl)methyl]-N-methylbenzenesulfonamide
CID 30328481
N-[(3,4-dimethoxyphenyl)methyl]-N-ethylpiperidine-1-sulfonamide
CID 30667701
4-bromo-2,6-dichloro-N,N-dipropylbenzenesulfonamide
CID 60639771
N-ethyl-3,4-dimethoxy-N-[(3-methylphenyl)methyl]benzenesulfonamide
CID 3785219
2-cyano-N-[(3,4-dimethoxyphenyl)methyl]-N-ethylbenzenesulfonamide
CID 8801338
N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-ethyl-4-methylbenzenesulfonamide
CID 30173555
N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-1,3-dioxoisoindole-5-sulfonamide
CID 56561819
ethyl 3-[(4-bromophenyl)sulfonyl-[(3,4-dimethoxyphenyl)methyl]amino]propanoate
CID 4639234
N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-4-fluoro-3-nitrobenzenesulfonamide
CID 8801352

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2,6-dichloro-N-[(3,4-dimethoxyphenyl)methyl]-N-ethylbenzenesulfonamide?
The IUPAC name of 4-bromo-2,6-dichloro-N-[(3,4-dimethoxyphenyl)methyl]-N-ethylbenzenesulfonamide (CID 60594986) is 4-bromo-2,6-dichloro-N-[(3,4-dimethoxyphenyl)methyl]-N-ethylbenzenesulfonamide.
What is the SMILES notation for 4-bromo-2,6-dichloro-N-[(3,4-dimethoxyphenyl)methyl]-N-ethylbenzenesulfonamide?
The canonical SMILES for 4-bromo-2,6-dichloro-N-[(3,4-dimethoxyphenyl)methyl]-N-ethylbenzenesulfonamide is CCN(Cc1ccc(OC)c(OC)c1)S(=O)(=O)c1c(Cl)cc(Br)cc1Cl.
What is the InChIKey of 4-bromo-2,6-dichloro-N-[(3,4-dimethoxyphenyl)methyl]-N-ethylbenzenesulfonamide?
The InChIKey is YCEKYSRGQFMBER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrCl2NO4S/c1-4-21(10-11-5-6-15(24-2)16(7-11)25-3)26(22,23)17-13(19)8-12(18)9-14(17)20/h5-9H,4,10H2,1-3H3.
What are the key properties of 4-bromo-2,6-dichloro-N-[(3,4-dimethoxyphenyl)methyl]-N-ethylbenzenesulfonamide?
4-bromo-2,6-dichloro-N-[(3,4-dimethoxyphenyl)methyl]-N-ethylbenzenesulfonamide has a molecular weight of 483.21 g/mol, XLogP of 4.98, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2,6-dichloro-N-[(3,4-dimethoxyphenyl)methyl]-N-ethylbenzenesulfonamide is sourced from PubChem (CID 60594986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).